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3558-10-9 | 1-METHYL-5-NITRO-1H-INDOLE-3-CARBOXALDEHYDE
CAS No: 3558-10-9 Catalog No: AG01BZDK MDL No:MFCD12025394
Product Description
Catalog Number:
AG01BZDK
Chemical Name:
1-METHYL-5-NITRO-1H-INDOLE-3-CARBOXALDEHYDE
CAS Number:
3558-10-9
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD12025394
IUPAC Name:
1-methyl-5-nitroindole-3-carbaldehyde
InChI:
InChI=1S/C10H8N2O3/c1-11-5-7(6-13)9-4-8(12(14)15)2-3-10(9)11/h2-6H,1H3
InChI Key:
KFTGWHRQKBLPLH-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cc(cc2)[N+](=O)[O-])C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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